![4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate structure](/static/products/6488/648859-35-2.webp)
4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate
TL;DR: 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 648859-35-2) is a chemical compound with molecular formula C16H9Cl4F3N4O3 and molecular weight 501.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl 2-[2-(2,3,3-trichloroprop-2-enoyl)hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
Also Known As: 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate, (4-chlorophenyl)methyl 2-[2-(2,3,3-trichloroprop-2-enoyl)hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate, (4-chlorophenyl)methyl 2-(trichloroprop-2-enehydrazido)-4-(trifluoromethyl)pyrimidine-5-carboxylate
| Molecular Formula | C16H9Cl4F3N4O3 |
|---|---|
| Molecular Weight | 501.94 g/mol |
| LogP | 4.8344 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.93808 |
| Heavy Atoms | 30 |
| Complexity | 980.6908 |
Chemical Identifiers
| CAS Number | 648859-35-2 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)C2=CN=C(N=C2C(F)(F)F)NNC(=O)C(=C(Cl)Cl)Cl)Cl |
Product Overview
4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 648859-35-2), with molecular formula C16H9Cl4F3N4O3 and molecular weight 501.94 g/mol. IUPAC: (4-chlorophenyl)methyl 2-[2-(2,3,3-trichloroprop-2-enoyl)hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate.
Chemical Property Profile of 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate
Property Insights of 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate
The XLogP value of 4.8344 indicates that 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The CAS number of 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate is 648859-35-2.
What is the molecular formula of 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular formula of 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate is C16H9Cl4F3N4O3.
What is the molecular weight of 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate?
The molecular weight of 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate is 501.94 g/mol.
Where can I buy 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate?
You can request a quote for 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.